2-[2-[[3-(4-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[[3-(4-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[[3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[[3-(4-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[[3-(4-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[4-keto-3-(4-methoxyphenyl)phthalazine-1-carbonyl]amino]acetyl]amino]ethyl-dimethyl-ammonium Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O4/c1-26(2)13-12-23-19(28)14-24-21(29)20-17-6-4-5-7-18(17)22(30)27(25-20)15-8-10-16(31-3)11-9-15/h4-11H,12-14H2,1-3H3,(H,23,28)(H,24,29)/p+1